Geometry & MOs

Info

ID:	88777
PubChem CID:	49956748
Reduced:	BrNH16C18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	62.55
Dipole, Da:	1.36
IP(EA), eV:	-8.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-butan-2-yloxybenzoyl)amino]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

C1C=CC2C1C(NC3=CC=CC=C23)C4=CC=C(C=C4)Br

DOS

IR

Vibrations